4-(4-chlorophenyl)carbonyloxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)carbonyloxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-chlorobenzoyl)oxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-chlorophenyl)-oxomethoxy]-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-chlorobenzoyl)oxy-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-chlorobenzoyl)oxy-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C16H18ClNO5S MolecularWeight: 371.83582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClNO5S/c1-9(8-24)14(19)18-7-12(6-13(18)15(20)21)23-16(22)10-2-4-11(17)5-3-10/h2-5,9,12-13,24H,6-8H2,1H3,(H,20,21)